2-[3-(oxan-2-yloxy)-1-oxidanyl-3-(4-phenoxyphenyl)propyl]octanoic acid

Systemtic Name: 2-[3-(oxan-2-yloxy)-1-oxidanyl-3-(4-phenoxyphenyl)propyl]octanoic acid Openeye Name: 2-[1-hydroxy-3-(4-phenoxyphenyl)-3-tetrahydropyran-2-yloxy-propyl]octanoic acid CAS Name: 2-[1-hydroxy-3-(2-oxanyloxy)-3-(4-phenoxyphenyl)propyl]octanoic acid IUPAC Name: 2-[1-hydroxy-3-(oxan-2-yloxy)-3-(4-phenoxyphenyl)propyl]octanoic acid Traditional Name: 2-[1-hydroxy-3-(4-phenoxyphenyl)-3-tetrahydropyran-2-yloxy-propyl]caprylic acid Formula: C28H38O6 MolecularWeight: 470.59772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CC(C1=CC=C(C=C1)OC2=CC=CC=C2)OC3CCCCO3)O)C(=O)O

Isomeric SMILES

CCCCCCC(C(CC(C1=CC=C(C=C1)OC2=CC=CC=C2)OC3CCCCO3)O)C(=O)O

InChI

InChI=1S/C28H38O6/c1-2-3-4-8-13-24(28(30)31)25(29)20-26(34-27-14-9-10-19-32-27)21-15-17-23(18-16-21)33-22-11-6-5-7-12-22/h5-7,11-12,15-18,24-27,29H,2-4,8-10,13-14,19-20H2,1H3,(H,30,31)